CID 199332

4035-65-8

Structural Information

Molecular Formula
C22H27N
SMILES
CCN(CC)CCC1=CC2CCC1C3=C2C4=CC=CC=C4C=C3
InChI
InChI=1S/C22H27N/c1-3-23(4-2)14-13-17-15-18-10-11-19(17)21-12-9-16-7-5-6-8-20(16)22(18)21/h5-9,12,15,18-19H,3-4,10-11,13-14H2,1-2H3
InChIKey
OABJJTMABXRNJE-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(13-tetracyclo[10.2.2.02,11.03,8]hexadeca-2(11),3,5,7,9,13-hexaenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.221636 172.9
[M+Na]+ 328.203578 175.7
[M-H]- 304.207084 173.6
[M+NH4]+ 323.248183 193.2
[M+K]+ 344.177518 170.6
[M+H-H2O]+ 288.211620 163.9
[M+HCOO]- 350.212561 184.8
[M+CH3COO]- 364.228211 181.3
[M+Na-2H]- 326.189026 181.4
[M]+ 305.21381142 176.0
[M]- 305.21490858 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.